N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-5-chloranyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-5-chloranyl-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-5-chloro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(1-benzotriazolyl)-2,2-dimethylpropyl]-5-chloro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(benzotriazol-1-yl)-2,2-dimethylpropyl]-5-chloropyridin-1-ium-2-amine Traditional Name: [(1R)-1-(benzotriazol-1-yl)-2,2-dimethyl-propyl]-(5-chloropyridin-1-ium-2-yl)amine Formula: C16H19ClN5+ MolecularWeight: 316.80856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(NC1=[NH+]C=C(C=C1)Cl)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)[C@H](NC1=[NH+]C=C(C=C1)Cl)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H18ClN5/c1-16(2,3)15(19-14-9-8-11(17)10-18-14)22-13-7-5-4-6-12(13)20-21-22/h4-10,15H,1-3H3,(H,18,19)/p+1/t15-/m1/s1